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SCHEMBL5157472

SCHEMBL5157472

COc1ccc(Cl)cc1-c1c(/C=N/O)c(=O)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 6/20 0.66
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAP2 P11137 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNQ4 P56696 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ KCNQ5 Q9NR82 1/20 0.40
▸ CCNB2 O95067 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TUBB4A P04350 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5157475 1.00 CYP2C9 (0.66) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5157873 0.88 CYP2C9 (0.68) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5162058 0.86 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5160586 0.86 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5157830 0.85 CYP2C9 (0.69) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5163339 0.85 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5162462 0.85 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5162458 0.85 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5157834 0.85 CYP2C9 (0.69) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5163350 0.85 CYP2C9 (0.64) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 — — EP claimed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 — — EP claimed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 — — EP claimed
US-6184231-B1 NEUROPROTECTANTS; TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, TRAUMATIC BRAIN INJURY, SEXUAL DYSFUNCTION BRISTOL-MYERS SQUIBB 2001-02-06 — — US claimed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 — — WO claimed
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 — — EP disclosed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 — — EP disclosed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 — — EP disclosed
US-6184231-B1 NEUROPROTECTANTS; TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, TRAUMATIC BRAIN INJURY, SEXUAL DYSFUNCTION BRISTOL-MYERS SQUIBB 2001-02-06 — — US disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 — — WO disclosed